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Author(s):   Sivaramakrishnan, R.; Michael, J.V.; Ruscic, B.
Title:   High-temperature rate constants for H/D + C2H6 and C3H8
Journal:   Int. J. Chem. Kinet.
Volume:   44
Page(s):   194 - 205
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012SIV/MIC194-205

Reaction:   C3H8 + D1-C3H7 + HD
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure independent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory. The rate constant temperature dependence is given by the following sum of two Arrhenius equations: k(T) = 1.31×10-20 T2.95 exp(-2241 K/T) + 2.84×10-15 T1.58 exp(-4687 K/T) cm3 molecule-1 s-1.

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